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CHEBI:22450 - (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one

ChEBI IDCHEBI:22450
ChEBI Name(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one
Stars
ASCII Name(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one
Last Modified3 August 2014
DownloadsMolfile

FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILES[H][C@]12c3cnc4cccc(c34)C[C@@]1([H])C(C)(C)N1C(=O)C(C(C)=O)=C(O)[C@@]12[H]
InChIInChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1
InChIKeySZINUGQCTHLQAZ-DQYPLSBCSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one
Synonyms  Source
cyclopiazonic acidChemIDplus
alpha-Cyclopiazonic acidKEGG COMPOUND
Manual XrefsDatabases
C03032KEGG COMPOUND
Registry NumbersSources
Beilstein:707309Beilstein
CAS:18172-33-3ChemIDplus
CAS:18172-33-3KEGG COMPOUND